SCHEMBL9821094

SCHEMBL9821094

CC(=O)c1cc(F)c(N)c(Br)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NSD2 O96028 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3183654 0.84 HDAC1 (0.39) HDAC1HDAC6TSHRALDH1A1CYP1A2
SCHEMBL9821187 0.82 GAA (0.35) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL1931579 0.79 TSHR (0.38) HDAC1HDAC6TSHRDGAT1ALDH1A1
SCHEMBL30353604 0.76 DGAT1 (0.43) HDAC1HDAC6TSHRCA1CA2
SCHEMBL31403413 0.76 TSHR (0.36) HDAC1HDAC6TSHRCA1CA2
SCHEMBL4092168 0.76 DGAT1 (0.43) HDAC1HDAC6TSHRCA1CA2
SCHEMBL9820984 0.74 TRPV4 (0.36) HDAC1HDAC6TSHRALDH1A1CYP1A2
SCHEMBL24662883 0.73 THRB (0.35) HDAC1HDAC6TSHRDGAT1ALDH1A1
SCHEMBL15067720 0.72 TSHR (0.36) HDAC1HDAC6TSHRDGAT1ALDH1A1
SCHEMBL30451431 0.72 TSHR (0.36) HDAC1HDAC6TSHRDGAT1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224001-B1 ANTHRANILONITRILE DERIVATIVES AND RELATED COMPOUNDS AS USEFUL AGENTS FOR PROMOTING GROWTH, IMPROVING FEED EFFICIENCY, AND FOR INCREASING THE LEAN MEAT TO FAT RATIO OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1991-03-20 EP disclosed
US-4863959-A Anthranilonitrile derivatives as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1989-09-05 US disclosed
EP-0224001-A1 Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed